[3-[2-(4-hexadecoxyphenyl)ethanoylamino]phenyl]methyl methanesulfonate

Systemtic Name: [3-[2-(4-hexadecoxyphenyl)ethanoylamino]phenyl]methyl methanesulfonate Openeye Name: [3-[[2-(4-hexadecoxyphenyl)acetyl]amino]phenyl]methyl methanesulfonate CAS Name: methanesulfonic acid [3-[[2-(4-hexadecoxyphenyl)-1-oxoethyl]amino]phenyl]methyl ester IUPAC Name: [3-[[2-(4-hexadecoxyphenyl)acetyl]amino]phenyl]methyl methanesulfonate Traditional Name: methanesulfonic acid [3-[[2-(4-cetyloxyphenyl)acetyl]amino]benzyl] ester Formula: C32H49NO5S MolecularWeight: 559.80016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)CC(=O)NC2=CC=CC(=C2)COS(=O)(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)CC(=O)NC2=CC=CC(=C2)COS(=O)(=O)C

InChI

InChI=1S/C32H49NO5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-37-31-22-20-28(21-23-31)26-32(34)33-30-19-17-18-29(25-30)27-38-39(2,35)36/h17-23,25H,3-16,24,26-27H2,1-2H3,(H,33,34)